[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C25H24ClN3O4S/c1-3-31-21-11-9-18(10-12-21)24(30)33-22-13-8-17(14-23(22)32-4-2)16-27-29-25(34)28-20-7-5-6-19(26)15-20/h5-16H,3-4H2,1-2H3,(H2,28,29,34)/b27-16+